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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Nov-2018/RS_1_to_RRS_1_DFT RS-1toRRS-2_B3LYP_6-31plGdp_transition-stateVan der Kamp, Marc; Serapian, StefanoGaussian; 09; ES64L-G09RevD.01Single point MinimumRB3LYP--1612.70986788; Eh
thumbnail.jpeg19-Nov-2018/SR_1_to_RSR_1_Semiempirical SR-1toRSR-2_DFTB3_RSR-2productVan der Kamp, Marc; Serapian, StefanoGaussian; 09; AS64L-G09RevD.01Single point MinimumRDFTB--85.1353335038; Eh
thumbnail.jpeg3-Sep-2021PPantSCOMefullSR_HF_6-31Gd_ener_freqVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Single point MinimumRHF6-31G(D)-4302.39791516; Eh
thumbnail.jpeg3-Sep-2021PPantSCOMefullRR_HF_6-31Gd_ener_freqVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Single point MinimumRHF6-31G(D)-4302.41455636; Eh
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